ABSTRACTThis mini-review presents recent advances in theory of electronic and spectral properties of hetero[8]circulenes used as promising fluorescent emitters for organic light-emitting diodes. Special attention is paid to the possibility of their further functionalisation into one-dimensional and two-dimensional (2D) materials. Such materials are predicted to be useful ambipolar organic semiconductors showing high charge carrier mobility. The porous structure of hetero[8]circulene-based nano-arrays can also provide suitable hydrogen storage materials, biomimetic-type nanopores and ionic channels. They serve as a good example of the density functional theory application for design of stable 2D structures, which extends the family of graphene-like materials.